CID 2736939

1-methylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
CN1CCC(CC1)C(=O)O
InChI
InChI=1S/C7H13NO2/c1-8-4-2-6(3-5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
HCKNAJXCHMACDN-UHFFFAOYSA-N
Compound name
1-methylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3951
Patents

143.09464 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 130.5
[M+Na]+ 166.083858 136.1
[M-H]- 142.087364 130.8
[M+NH4]+ 161.128463 149.8
[M+K]+ 182.057798 135.3
[M+H-H2O]+ 126.091900 124.7
[M+HCOO]- 188.092841 148.2
[M+CH3COO]- 202.108491 171.5
[M+Na-2H]- 164.069306 134.3
[M]+ 143.09409142 125.9
[M]- 143.09518858 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe